(3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate

C11H10N2O5 — CID 91343351

IUPAC(3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate
SMILESO=C(O)On1cc(O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C11H10N2O5/c14-9-7-13(18-11(16)17)10(15)12(9)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2,(H,16,17)
InChIKeyOXKKBBGCPDZSFC-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.51
Rot. Bonds3

About (3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate

(3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate (PubChem CID 91343351) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is (3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate.

Molecular Properties

Compound Name(3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate
PubChem CID91343351
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name(3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate
SMILESO=C(O)On1cc(O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C11H10N2O5/c14-9-7-13(18-11(16)17)10(15)12(9)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2,(H,16,17)
InChIKeyOXKKBBGCPDZSFC-UHFFFAOYSA-N
XLogP0.51
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-4-hydroxy-1-methylimidazol-2-one
CID 54237295
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid
CID 54352516
3-[(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]benzoic acid
CID 90796127
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
CID 11509882
6-acetyl-1,3-dibenzylpyrimidine-2,4-dione
CID 131848742
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
1-benzyl-4-hydroxy-3-methylimidazol-2-one
CID 54295474
ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate
CID 10426272
3-[3-benzyl-2,4,6-trioxo-5-[3-(2-sulfanylacetyl)oxypropyl]-1,3,5-triazinan-1-yl]propyl 2-sulfanylacetate
CID 12062948
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate?
The IUPAC name of (3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate (CID 91343351) is (3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate.
What is the SMILES notation for (3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate?
The canonical SMILES for (3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate is O=C(O)On1cc(O)n(Cc2ccccc2)c1=O.
What is the InChIKey of (3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate?
The InChIKey is OXKKBBGCPDZSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-9-7-13(18-11(16)17)10(15)12(9)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2,(H,16,17).
What are the key properties of (3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate?
(3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate has a molecular weight of 250.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate is sourced from PubChem (CID 91343351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).